N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide

C17H20N4O2 — CID 113049126

IUPACN-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)CC(C)C)nn2)cc1
InChIInChI=1S/C17H20N4O2/c1-11(2)10-17(23)19-16-9-8-15(20-21-16)18-14-6-4-13(5-7-14)12(3)22/h4-9,11H,10H2,1-3H3,(H,18,20)(H,19,21,23)
InChIKeyRYJDDPZRMKBTRC-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.41
Rot. Bonds6

About N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide

N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide (PubChem CID 113049126) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide
PubChem CID113049126
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)CC(C)C)nn2)cc1
InChIInChI=1S/C17H20N4O2/c1-11(2)10-17(23)19-16-9-8-15(20-21-16)18-14-6-4-13(5-7-14)12(3)22/h4-9,11H,10H2,1-3H3,(H,18,20)(H,19,21,23)
InChIKeyRYJDDPZRMKBTRC-UHFFFAOYSA-N
XLogP3.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113035034
N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113047111
N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide
CID 113049122
methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate
CID 113049175
N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113049129
3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide
CID 133433466
N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113049153
1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea
CID 113049173
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113050208
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
1-(4-acetylphenyl)-3-(3-methylbutanoylamino)thiourea
CID 17370728

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide?
The IUPAC name of N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide (CID 113049126) is N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide is CC(=O)c1ccc(Nc2ccc(NC(=O)CC(C)C)nn2)cc1.
What is the InChIKey of N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide?
The InChIKey is RYJDDPZRMKBTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(2)10-17(23)19-16-9-8-15(20-21-16)18-14-6-4-13(5-7-14)12(3)22/h4-9,11H,10H2,1-3H3,(H,18,20)(H,19,21,23).
What are the key properties of N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide?
N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide has a molecular weight of 312.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 113049126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).